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Home > Nitro Compounds > 799812-19-4
799812-19-4 | ETHANONE, 1-[4-[(1E)-1-METHYL-2-NITROETHENYL]PHENYL]-
CAS No: 799812-19-4 Catalog No: AG004Z08 MDL No:
Product Description
Catalog Number:
AG004Z08
Chemical Name:
ETHANONE, 1-[4-[(1E)-1-METHYL-2-NITROETHENYL]PHENYL]-
CAS Number:
799812-19-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
1-[4-(1-nitroprop-1-en-2-yl)phenyl]ethanone
InChI:
InChI=1S/C11H11NO3/c1-8(7-12(14)15)10-3-5-11(6-4-10)9(2)13/h3-7H,1-2H3
InChI Key:
GARWDHIDGVUMRZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C(/c1ccc(cc1)C(=O)C)\C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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